1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; 2,6-dimethoxyphenolate; zirconium(2+)

Systemtic Name: 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; 2,6-dimethoxyphenolate; zirconium(2+) Openeye Name: 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; 2,6-dimethoxyphenolate; zirconium(2+) CAS Name: 1-(1-cyclopenta-1,3-dienyl)-9H-fluoren-9-ide; 2,6-dimethoxyphenolate; zirconium(2+) IUPAC Name: 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; 2,6-dimethoxyphenolate; zirconium(2+) Traditional Name: 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; 2,6-dimethoxyphenolate; zirconium(2+) Formula: C52H44O6Zr2 MolecularWeight: 947.35016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)[O-].COC1=C(C(=CC=C1)OC)[O-].C1C=CC=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43.C1C=CC=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43.[Zr+2].[Zr+2]

Isomeric SMILES

COC1=C(C(=CC=C1)OC)[O-].COC1=C(C(=CC=C1)OC)[O-].C1C=CC=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43.C1C=CC=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43.[Zr+2].[Zr+2]

InChI

InChI=1S/2C18H13.2C8H10O3.2Zr/c2*1-2-7-13(6-1)15-10-5-11-17-16-9-4-3-8-14(16)12-18(15)17;2*1-10-6-4-3-5-7(11-2)8(6)9;;/h2*1-6,8-12H,7H2;2*3-5,9H,1-2H3;;/q2*-1;;;2*+2/p-2